Local entropic effects of polymers grafted to soft interfaces

In this paper, we study the equilibrium properties of polymer chains end-tethered to a fluid membrane. The loss of conformational entropy of the polymer results in an inhomogeneous pressure field that we calculate for Gaussian chains. We estimate the effects of excluded volume through a relation between pressure and concentration. Under the polymer pressure, a soft surface will deform. We calculate the deformation profile for a fluid membrane and show that close to the grafting point, this profile assumes a cone-like shape, independently of the boundary conditions. Interactions between different polymers are also mediated by the membrane deformation. This pair-additive potential is attractive for chains grafted on the same side of the membrane and repulsive otherwise. Received 20 April 2000     

Magnetic moments of hindered rotators by off‐center impurity ions

Off‐center impurity ions in solids often perform rotations around their regular lattice sites. Unlike quasifree rotors with rotational line spectra subject to textbook attention in quantum mechanics, the off‐center species are hindered rotors with spectra quantized in rotational bands. These bands occur because of tunneling through barriers arising along the orbital path. For an off‐center ion rotating along a planar orbit, such as the Li⁺ impurity nearest‐neighboring an F center in alkali halide, the hindered rotation will give rise to specific magnetic moments that couple to and quantize external magnetic fields normal to the orbital plane. We present a simple theory and estimates of Li⁺ magnetic dipoles and rotational bands to find conditions for an experimental verification. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002     

LiF晶体中F3^＋—F2混合色心激光器

本文报道了室温下LiF晶体中F_3~+-F_2混合色心激光器.利用一块晶体和单一泵光,输出激光波长范围从510～580nm、640～710nm.总带宽140nm.     

A Thermal And Structural Study on Lanthanum Hexacyanocobaltate(III) Pentahydrate. Part II

The thermal dehydration of La[Co(CN)₆]⋅5H₂O proceeded through at least three stages from the temperature range of30~230°C, and an abrupt mass loss occurred around 350°C and the perovskite type oxide,LaCoO₃ was obtained at 1000°C. After dehydration, the color of the anhydride changed from white to pale blue around 230°C and furthermore, the color changed to blue around 290°C. These color changes were discussed on the basis of the changes of coordination structures around Co ions. In La[Co(CN)₆]⋅5H₂O, Co³⁺ ions lie at the center of the O_h crystal field consisted of six CN^– ions. However, in the pale blue specimen, Co³⁺ ions were situated in the center of D_4h crystal field which was distorted the O_h one by lengthening of the trans CN^– ions along z-axis. In the blue specimen, Co³⁺ ions were reduced to Co²⁺ ions which were situated in the T_d crystal field formed by four CN^–ions as [Co(CN)₄]^2–. This revised version was published online in July 2006 with corrections to the Cover Date.     

An Accurate Characterization of CRT Monitor (I) Verifications of Past Studies and Clarifications of Gamma

CRT monitors are widely used to view images on the Internet. The color images on the computer graphic display can be printed out or displayed on other monitors through the Internet, and color matching between the original and the reproduction is very important. The color management systems (CMSs) are useful for the color matching. CMSs utilize device profiles, in which color characteristic information is stored, and these profiles are generated by device characterization. Thus, an accurate characterization of the monitor is essential for better color matching. CRT monitor characteristics can be described by the tone reproduction curves (TRCs) of each channel, and color additive matrix. In this paper, these characteristics were investigated from a physical point of view. Various kinds of flare and the interdependence among the channels were also investigated and verified. The definition of the term “gamma” is clarified, which is very often used to describe the TRC. Various definitions are compared and a new definition of S-γ is proposed.     

A THEORETICAL APPROACH TO P_(co_2) EVOLUTION IN THE ATMOSPHERE BASED ON ASSOCIATIONS OF SEDIMENTARY MINERALS

Based on the theory of pH evolution of sea water and the balance between the seawater and the atmosphere the authors discussed the problems about (i) the method ofcalculating P_(CO_2) in the ancient atmosphere with the associations of sedimentary miner-als; (ii) the evolution of P_(CO_2) values in the geologic history; (iii) the relations of thepH evolution of sea water with carbonate precipitations; and (iv) calculation of the pHlimit for some associations of sedimentary minerals and its corresponding P_(CO_2) valuesin the atmosphere. The authors pointed out that though carbonates had deposited little in the Archaean,the content of CO_2 gas in the Archaean atmosphere was very high and was gradually go-ing up to form a thick CO_2 atmosphere. Up to 2600 Ma ago, the P_(CO_2) had reached a gradeof 10- 50 atm. There was a general trend of evolution that from the early Proterozoicera to the present the depositional horizon of carbonate layers was gradually risingand finally surpassed the horizons of clay min     

Cayley色图中的Hamilton路

Joseph B.Klerlein 在文[1]中证明了有限 Abell 群Γ具有极小生成元集△使Cayley 色图 D_△(T)为有向 Hamilton 图.本文证明了当Γ是 Abell 群时,连通的cayley 色图D_△(Γ)具有有向 Hamilton 路对任意的△成立,并举例说明一般的D_△(Γ)未必是 Hamilton 图.     

A novel method for the determination of diffusion coefficients in amorphous poly(3-hydroxybutyrate)

A novel approach is proposed for the determination of the diffusion coefficient of certain drugs in amorphous poly(hydroxybutyrate) (PHB), which can be a reliable alternative to the conventional permeation based measurements. The method requires the preparation of PHB films with various concentrations of the drug and if the latter absorbs in the visible wavelength range, its concentration gradient in the polymer film as well as the time dependence of the latter can be analyzed quantitatively by following changes in color. Color can be converted into concentration with the help of adequate calibration and thus the dependence of additive concentration on space (x) and time (t), i.e. the c(x,t) function, can be determined relatively easily. The fitting of the numerical solution of Fick's second law onto the measured values provides directly the targeted diffusion coefficient. The comparison of diffusion coefficients obtained by the proposed approach to values published in the literature proved that the new method provides reliable results and requires reasonable time and effort at the same time.     

Structures, IR, NMR Spectra and Thermodynamics Properties of Halogenated Compounds X-1-ZB11H10 (Z=O, S, Se;X=F, Cl, Br): A DFT Study

The halogenated compounds of twelve‐vertex closo‐1‐ZB₁₁H₁₁(Z=O, S, Se; X=F, Cl, Br) have unusual stability. The structures of halogenated isomers obtained by DFT method indicate that the halogen atoms are more likely to attack the meta vertexes. The chemical thermodynamic properties show that the halogenations are spontaneous and exothermic. The result that both the optimized and experimental cages of closo‐thiaborane have not changed after chlorination indicates that the substitution of a chlorine atom for a hydrogen atom of closo‐thiaborane happens at outer of the cage. The calculated electronic structures show that the three‐dimensioned aromaticity of cage would like positive chlorine atoms to attack. The halogenations by elemental halogen in the presence of metal halides were proved to belong to the electrophilic substitutions and the mechanism was discussed in details. The suggested transition state interpreted the experiments. The thermal rearrangement which was supposed early according to experiments was verified by the thermodynamic properties of chlorination theoretically. The IR and ¹¹B/¹H NMR isotropic chemical shifts were calculated and compared with the experimental data to reconfirm the structures of chlorinated closo‐thiaborane. Furthermore, the predictions on the halogenated closo‐oxaborane and closo‐selenaborane are significant for the syntheses.     

卟啉类试剂在分析化学中的应用进展

根据卟啉类试剂的特性,从其在分析化学中的显色性、荧光性、超分子特性、电化学活性等方面,简要综述了近几年来卟啉类试剂在分析化学中的应用进展情况.